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Mefloquine hydrochloride

CAT: 0862-GP7880-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:0862-GP7880-1gSize:1 g
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CAS Number
51773-92-3
EC Number
257-412-0
MDL Number
MFCD00797519
HS Code
2933499090
Purity
98.00%
Molecular Formula
C17H16F6N2O · HCl
Molecular Weight
414.77
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

Mefloquine Hydrochloride

Mefloquine hydrochloride is a hydrochloride.

CAS Number51773-92-3
PubChem CID65329
IUPAC Name(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride
Molecular FormulaC17H17ClF6N2O
Molecular Weight414.8
Topological Polar Surface Area45.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity483
SMILES
C1CCN[C@H](C1)[C@H](C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O.Cl
InChI
InChI=1S/C17H16F6N2O.ClH/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11;/h3-5,8,12,15,24,26H,1-2,6-7H2;1H/t12-,15+;/m1./s1
InChIKey
WESWYMRNZNDGBX-YLCXCWDSSA-N
Chemical Structure
2D Structure
2D structure of Mefloquine Hydrochloride
CAS: 51773-92-3
CID: 65329
Formula: C17H17ClF6N2O
MW: 414.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight414.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass414.0933598
Monoisotopic Mass414.0933598
Topological Polar Surface Area45.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes